N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

C23H20FN3O2S — CID 19493100

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19493100) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
• PubChem CID: 19493100
• Molecular Formula: C23H20FN3O2S
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(OCc2csc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c2)cc1
• InChI: InChI=1S/C23H20FN3O2S/c1-16-6-8-20(9-7-16)29-14-17-10-22(30-15-17)23(28)26-19-11-25-27(13-19)12-18-4-2-3-5-21(18)24/h2-11,13,15H,12,14H2,1H3,(H,26,28)
• InChIKey: IMQGYZFYTKVZPN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19493100) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c2)cc1.

What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?

The InChIKey is IMQGYZFYTKVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-16-6-8-20(9-7-16)29-14-17-10-22(30-15-17)23(28)26-19-11-25-27(13-19)12-18-4-2-3-5-21(18)24/h2-11,13,15H,12,14H2,1H3,(H,26,28).

What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19493100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).